CID 2760037

1-methyl-4-(piperidine-4-carbonyl)piperazine

Structural Information

Molecular Formula

C₁₁H₂₁N₃O

SMILES

CN1CCN(CC1)C(=O)C2CCNCC2

InChI

InChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10/h10,12H,2-9H2,1H3

InChIKey

GDHWXQQENDWPIY-UHFFFAOYSA-N

Compound name

(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 211.16846 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.175736	153.9
[M+Na]+	234.157678	156.1
[M-H]-	210.161184	153.1
[M+NH4]+	229.202283	167.0
[M+K]+	250.131618	153.3
[M+H-H2O]+	194.165720	144.5
[M+HCOO]-	256.166661	164.3
[M+CH3COO]-	270.182311	183.4
[M+Na-2H]-	232.143126	154.8
[M]+	211.16791142	143.3
[M]-	211.16900858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe